(E)-2-tert-butyl-N-propan-2-ylhex-4-enamide

C13H25NO — CID 21366385

IUPAC(E)-2-tert-butyl-N-propan-2-ylhex-4-enamide
SMILESC/C=C/CC(C(=O)NC(C)C)C(C)(C)C
InChIInChI=1S/C13H25NO/c1-7-8-9-11(13(4,5)6)12(15)14-10(2)3/h7-8,10-11H,9H2,1-6H3,(H,14,15)/b8-7+
InChIKeyISDWCXDAIJDGNS-BQYQJAHWSA-N
MW211.35 g/mol
LogP3.14
Rot. Bonds4

About (E)-2-tert-butyl-N-propan-2-ylhex-4-enamide

(E)-2-tert-butyl-N-propan-2-ylhex-4-enamide (PubChem CID 21366385) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (E)-2-tert-butyl-N-propan-2-ylhex-4-enamide.

Molecular Properties

Compound Name(E)-2-tert-butyl-N-propan-2-ylhex-4-enamide
PubChem CID21366385
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(E)-2-tert-butyl-N-propan-2-ylhex-4-enamide
SMILESC/C=C/CC(C(=O)NC(C)C)C(C)(C)C
InChIInChI=1S/C13H25NO/c1-7-8-9-11(13(4,5)6)12(15)14-10(2)3/h7-8,10-11H,9H2,1-6H3,(H,14,15)/b8-7+
InChIKeyISDWCXDAIJDGNS-BQYQJAHWSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-tert-butyl-N-propan-2-ylhex-4-enamide?
The IUPAC name of (E)-2-tert-butyl-N-propan-2-ylhex-4-enamide (CID 21366385) is (E)-2-tert-butyl-N-propan-2-ylhex-4-enamide.
What is the SMILES notation for (E)-2-tert-butyl-N-propan-2-ylhex-4-enamide?
The canonical SMILES for (E)-2-tert-butyl-N-propan-2-ylhex-4-enamide is C/C=C/CC(C(=O)NC(C)C)C(C)(C)C.
What is the InChIKey of (E)-2-tert-butyl-N-propan-2-ylhex-4-enamide?
The InChIKey is ISDWCXDAIJDGNS-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H25NO/c1-7-8-9-11(13(4,5)6)12(15)14-10(2)3/h7-8,10-11H,9H2,1-6H3,(H,14,15)/b8-7+.
What are the key properties of (E)-2-tert-butyl-N-propan-2-ylhex-4-enamide?
(E)-2-tert-butyl-N-propan-2-ylhex-4-enamide has a molecular weight of 211.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-tert-butyl-N-propan-2-ylhex-4-enamide is sourced from PubChem (CID 21366385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).